5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid

C13H12N2O3 — CID 155164297

IUPAC5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2cn(C(=O)O)cc2c1)C1CC1
InChIInChI=1S/C13H12N2O3/c16-12(8-1-2-8)14-11-4-3-9-6-15(13(17)18)7-10(9)5-11/h3-8H,1-2H2,(H,14,16)(H,17,18)
InChIKeyCUKRJWCIKBUKCW-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.52
Rot. Bonds2

About 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid

5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid (PubChem CID 155164297) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid
PubChem CID155164297
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2cn(C(=O)O)cc2c1)C1CC1
InChIInChI=1S/C13H12N2O3/c16-12(8-1-2-8)14-11-4-3-9-6-15(13(17)18)7-10(9)5-11/h3-8H,1-2H2,(H,14,16)(H,17,18)
InChIKeyCUKRJWCIKBUKCW-UHFFFAOYSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid?
The IUPAC name of 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid (CID 155164297) is 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid is O=C(Nc1ccc2cn(C(=O)O)cc2c1)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid?
The InChIKey is CUKRJWCIKBUKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12(8-1-2-8)14-11-4-3-9-6-15(13(17)18)7-10(9)5-11/h3-8H,1-2H2,(H,14,16)(H,17,18).
What are the key properties of 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid?
5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)isoindole-2-carboxylic acid is sourced from PubChem (CID 155164297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).